4-(4-Aminophenyl)thiomorpholine 1,1-dioxide

C₁₀H₁₄N₂O₂SCAS 105297-10-7226.29 g/mol

Open in Covalent MOL file

Primary amine Sulfone Tertiary amine

Properties

Molecular formula: C₁₀H₁₄N₂O₂S
Molar mass: 226.29 g/mol
Exact mass: 226.0776 Da
logP: 0.50Crippen estimate
Polar surface area: 63.4 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

105297-10-7

SMILES

C1CS(=O)(=O)CCN1C2=CC=C(C=C2)N

InChIKey

PLQZCPNIYKUNPR-UHFFFAOYSA-N

InChI

InChI=1S/C10H14N2O2S/c11-9-1-3-10(4-2-9)12-5-7-15(13,14)8-6-12/h1-4H,5-8,11H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 4-(4-Aminophenyl)thiomorpholine 1,1-dioxide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-(Piperidin-1-yl)aniline2359-60-657 % similar N,N-Bis(2-hydroxyethyl)-p-phenylenediamine sulfate54381-16-754 % similar 4-Morpholinoaniline2524-67-653 % similar 4-(4-Methylpiperazin-1-yl)aniline16153-81-452 % similar 4-[4-(4-Aminophenyl)-1-piperazinyl]phenol74853-08-052 % similar 4-(4-Ethyl-1-piperazinyl)benzenamine115619-01-749 % similar Diethyl-p-phenylenediamine sulfate6283-63-247 % similar 1-[4-(4-Aminophenyl)piperazin-1-yl]ethan-1-one92394-00-847 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Benzenesulfonyl-piperazine14172-55-5 4-(Pyrrolidine-1-sulfonyl)aniline88327-91-7 N,N-Dimethylindoline-5-sulfonamide99169-99-0

Elsewhere

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